DeepMet

Record Information
HMDB Status	expected
Creation Date	2024-02-20 23:34:59 UTC
Update Date	2025-03-21 17:56:49 UTC
HMDB ID	HMDB0028731
Metabolite Identification
DeepMet ID	DMID00003815
Name	Asparaginylglycine
Frequency	1523.8
Structure
Chemical Formula	C₆H₁₁N₃O₄
Molecular Mass	189.075
SMILES	NC(=O)CC(N)C(=O)NCC(=O)O
InChI Key	KLKHFFMNGWULBN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	acyl glycines
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids asparagine and derivatives carbonyl compounds carboxylic acids dipeptides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl aliphatic acyclic compound carbonyl group carboxylic acid fatty amide alpha peptide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives alpha-amino acid amide carboxamide group n-acyl-amine n-acylglycine alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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